# generated using pymatgen data_Ba11(OsO6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.21513949 _cell_length_b 12.21513949 _cell_length_c 12.21513949 _cell_angle_alpha 118.88524198 _cell_angle_beta 118.88524198 _cell_angle_gamma 91.94191161 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba11(OsO6)4 _chemical_formula_sum 'Ba22 Os8 O48' _cell_volume 1309.68600961 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.13051500 0.44935700 0.26578700 1.0 Ba Ba1 1 0.22573200 0.78196300 0.02811100 1.0 Ba Ba2 1 0.19935700 0.43357000 0.81884200 1.0 Ba Ba3 1 0.94762100 0.47573200 0.94376900 1.0 Ba Ba4 1 0.52426800 0.46803700 0.47188900 1.0 Ba Ba5 1 0.13527200 0.86948500 0.31884200 1.0 Ba Ba6 1 0.51401400 0.01401400 0.50000000 1.0 Ba Ba7 1 0.98598600 0.48598600 0.50000000 1.0 Ba Ba8 1 0.76401400 0.76401400 0.00000000 1.0 Ba Ba9 1 0.61472800 0.38051500 0.18115800 1.0 Ba Ba10 1 0.80237900 0.77426800 0.55623100 1.0 Ba Ba11 1 0.61948500 0.80064300 0.23421300 1.0 Ba Ba12 1 0.18357000 0.86472800 0.73421300 1.0 Ba Ba13 1 0.99614800 0.05237900 0.52811100 1.0 Ba Ba14 1 0.75000000 0.25000000 0.50000000 1.0 Ba Ba15 1 0.75385200 0.19762100 0.97188900 1.0 Ba Ba16 1 0.55064300 0.81643000 0.68115800 1.0 Ba Ba17 1 0.21803700 0.24614800 0.44376900 1.0 Ba Ba18 1 0.23598600 0.23598600 0.00000000 1.0 Ba Ba19 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba20 1 0.56643000 0.38527200 0.76578700 1.0 Ba Ba21 1 0.53196300 0.00385200 0.05623100 1.0 Os Os22 1 0.37500000 0.12500000 0.75000000 1.0 Os Os23 1 0.37500000 0.62500000 0.75000000 1.0 Os Os24 1 0.87500000 0.62500000 0.75000000 1.0 Os Os25 1 0.37500000 0.62500000 0.25000000 1.0 Os Os26 1 0.87500000 0.62500000 0.25000000 1.0 Os Os27 1 0.87500000 0.12500000 0.75000000 1.0 Os Os28 1 0.37500000 0.12500000 0.25000000 1.0 Os Os29 1 0.87500000 0.12500000 0.25000000 1.0 O O30 1 0.76150900 0.23242700 0.24556900 1.0 O O31 1 0.97498600 0.24898600 0.74699000 1.0 O O32 1 0.20249200 0.48632600 0.08924900 1.0 O O33 1 0.23632600 0.64707700 0.78383400 1.0 O O34 1 0.26593900 0.01150900 0.02908200 1.0 O O35 1 0.75146500 0.99847400 0.02373500 1.0 O O36 1 0.98849100 0.01757300 0.25443100 1.0 O O37 1 0.97399500 0.70135700 0.46382300 1.0 O O38 1 0.21885100 0.96764800 0.60169800 1.0 O O39 1 0.48406100 0.23849100 0.47091800 1.0 O O40 1 0.97799600 0.22498600 0.22599900 1.0 O O41 1 0.39707700 0.11324300 0.91075100 1.0 O O42 1 0.38405000 0.63284700 0.10169800 1.0 O O43 1 0.03235200 0.63405000 0.25120300 1.0 O O44 1 0.98685700 0.51593900 0.75443100 1.0 O O45 1 0.99853500 0.25152600 0.47626500 1.0 O O46 1 0.77200400 0.02501400 0.27400100 1.0 O O47 1 0.36715300 0.46885100 0.75120300 1.0 O O48 1 0.48982800 0.02600500 0.72736200 1.0 O O49 1 0.24800400 0.02200400 0.24699000 1.0 O O50 1 0.76757300 0.01314300 0.52908200 1.0 O O51 1 0.38284700 0.78114900 0.74879700 1.0 O O52 1 0.76314300 0.73406100 0.74556900 1.0 O O53 1 0.50199600 0.22799600 0.25301000 1.0 O O54 1 0.51367400 0.60292300 0.71616600 1.0 O O55 1 0.36595000 0.61715300 0.39830200 1.0 O O56 1 0.88675700 0.79750800 0.28383400 1.0 O O57 1 0.45135700 0.48753400 0.22736200 1.0 O O58 1 0.77526100 0.52227000 0.52373500 1.0 O O59 1 0.99898600 0.75199600 0.77400100 1.0 O O60 1 0.98242700 0.23685700 0.97091800 1.0 O O61 1 0.75101400 0.49800400 0.72599900 1.0 O O62 1 0.00152600 0.02526100 0.75299100 1.0 O O63 1 0.77501400 0.00101400 0.75301000 1.0 O O64 1 0.27227000 0.24853500 0.24700900 1.0 O O65 1 0.74847400 0.22473900 0.74700900 1.0 O O66 1 0.77600500 0.54864300 0.03617700 1.0 O O67 1 0.97473900 0.72773000 0.97626500 1.0 O O68 1 0.26017200 0.22399500 0.77263800 1.0 O O69 1 0.29864300 0.76246600 0.27263800 1.0 O O70 1 0.35292300 0.13675700 0.58924900 1.0 O O71 1 0.54750800 0.76367400 0.41075100 1.0 O O72 1 0.71764800 0.61595000 0.24879700 1.0 O O73 1 0.53114900 0.28235200 0.89830200 1.0 O O74 1 0.47773000 0.00146500 0.25299100 1.0 O O75 1 0.23753400 0.51017200 0.53617700 1.0 O O76 1 0.86324300 0.45249200 0.21616600 1.0 O O77 1 0.51246600 0.73982800 0.96382300 1.0